结合变分与采样,高效训练大规模深度高斯过程回归。
Sparse Techniques for Regression in Deep Gaussian Processes
- 用粒子期望最大化法联合优化诱导点与模型参数
- 在标准基准上实现高精度与高效率的深度高斯过程训练
- 适合处理大数据量和多尺度特征的回归任务
高斯过程(GPs)因其灵活的函数逼近能力和内置的不确定性量化机制,在回归任务中广受欢迎。然而,当训练数据量庞大或目标函数包含多尺度特征时,传统GP表现受限。针对数据量大问题,通常采用诱导点近似(即稀疏GP回归),通过贪心搜索减少协方差矩阵规模。为应对多尺度特征,深度高斯过程作为分层模型,通过组合多个GP来建模复杂结构。但深度GP的后验推断需依赖采样或变分近似,后者导致大规模非凸随机优化,且常错误表示不确定性。本文提出一种基于粒子的期望最大化方法,将变分学习与马尔可夫链蒙特卡洛(MCMC)结合,同时在大规模数据中变分地选择诱导点,并以采样方式准确训练深度高斯过程。该方法在标准基准测试中表现出高效率与高精度,适用于大规模数据与复杂结构的回归任务。
原文摘要 · Abstract (English)
Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is large or when the underlying function contains multi-scale features that are difficult to represent by a stationary kernel. To address the former, training of GPs with large-scale data is often performed through inducing point approximations, also known as sparse GP regression (GPR), where the size of the covariance matrices in GPR is reduced considerably through a greedy search on the data set. To aid the latter, deep GPs have gained traction as hierarchical models that resolve multi-scale features by combining multiple GPs. Posterior inference in deep GPs requires a sampling or, more usual, a variational approximation. Variational approximations lead to large-scale stochastic, non-convex optimisation problems and the resulting approximation tends to represent uncertainty incorrectly. In this work, we combine variational learning with MCMC to develop a particle-based expectation-maximisation method to simultaneously find inducing points within the large-scale data (variationally) and accurately train the deep GPs (sampling-based). The result is a highly efficient and accurate methodology for deep GP training on large-scale data. We test our method on standard benchmark problems.
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